(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C25H28N6O — CID 29160173

IUPAC(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2
InChIInChI=1S/C25H28N6O/c1-2-26-24-23-20(16-19(17-21(23)32)18-8-4-3-5-9-18)28-25(29-24)31-14-12-30(13-15-31)22-10-6-7-11-27-22/h3-11,19H,2,12-17H2,1H3,(H,26,28,29)/t19-/m1/s1
InChIKeyIMFGZQKIWJKGRI-LJQANCHMSA-N
MW428.54 g/mol
LogP3.54
Rot. Bonds5

About (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 29160173) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID29160173
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2
InChIInChI=1S/C25H28N6O/c1-2-26-24-23-20(16-19(17-21(23)32)18-8-4-3-5-9-18)28-25(29-24)31-14-12-30(13-15-31)22-10-6-7-11-27-22/h3-11,19H,2,12-17H2,1H3,(H,26,28,29)/t19-/m1/s1
InChIKeyIMFGZQKIWJKGRI-LJQANCHMSA-N
XLogP3.54
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

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Related Compounds

(7S)-4-(ethylamino)-2-(4-methylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160156
(7S)-4-(ethylamino)-2-(4-ethylpiperazin-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 29160164
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160235
(7S)-7-(4-chlorophenyl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 27892827
(7S)-7-(furan-2-yl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601691
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 29160251
4-(ethylamino)-7-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 17036503
(7S)-4-anilino-7-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160218
(7R)-7-(2,4-dimethoxyphenyl)-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 27892857
(7S)-4-methyl-7-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7447113
4-anilino-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 43902959

Frequently Asked Questions

What is the IUPAC name of (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 29160173) is (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2.
What is the InChIKey of (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is IMFGZQKIWJKGRI-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N6O/c1-2-26-24-23-20(16-19(17-21(23)32)18-8-4-3-5-9-18)28-25(29-24)31-14-12-30(13-15-31)22-10-6-7-11-27-22/h3-11,19H,2,12-17H2,1H3,(H,26,28,29)/t19-/m1/s1.
What are the key properties of (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 428.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-(ethylamino)-7-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 29160173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).